Phethiol
TL;DR: Phethiol (CAS 37880-98-1) is a chemical compound with molecular formula C9H14ClNS and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)ethanethiol;hydrochloride
Also Known As: Phethiol, 1-Amino-1-benzyl-2-mercaptoethane, 2-amino-3-phenylpropane-1-thiol, 2-(benzylamino)ethanethiol hydrochloride, 2-(benzylamino)ethanethiol;hydrochloride
| Molecular Formula | C9H14ClNS |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 2.1278 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.05354 |
| Heavy Atoms | 12 |
| Complexity | 190.97984 |
Chemical Identifiers
| CAS Number | 37880-98-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCS.Cl |
Product Overview
Phethiol (CAS 37880-98-1), with molecular formula C9H14ClNS and molecular weight 203.05 g/mol. IUPAC: 2-(benzylamino)ethanethiol;hydrochloride.
Chemical Property Profile of Phethiol
Property Insights of Phethiol
The XLogP value of 2.1278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phethiol. With a topological polar surface area (TPSA) of 12.03 Ų, Phethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phethiol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phethiol?
The CAS number of Phethiol is 37880-98-1.
What is the molecular formula of Phethiol?
The molecular formula of Phethiol is C9H14ClNS.
What is the molecular weight of Phethiol?
The molecular weight of Phethiol is 203.05 g/mol.
Where can I buy Phethiol?
You can request a quote for Phethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phethiol?
Yes, KEHONG BIO provides custom synthesis services for Phethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.